Advancing drug discovery via artificial intelligence

HCS Chan, H Shan, T Dahoun, H Vogel… - Trends in pharmacological …, 2019 - cell.com
Drug discovery and development are among the most important translational science
activities that contribute to human health and wellbeing. However, the development of a new …

Antimicrobial peptides: diversity, mechanism of action and strategies to improve the activity and biocompatibility in vivo

P Kumar, JN Kizhakkedathu, SK Straus - Biomolecules, 2018 - mdpi.com
Antibiotic resistance is projected as one of the greatest threats to human health in the future
and hence alternatives are being explored to combat resistance. Antimicrobial peptides …

Activation mechanism of PINK1

ZY Gan, S Callegari, SA Cobbold, TR Cotton… - Nature, 2022 - nature.com
Mutations in the protein kinase PINK1 lead to defects in mitophagy and cause autosomal
recessive early onset Parkinson's disease,. PINK1 has many unique features that enable it …

Cryo-EM structure of the agonist-bound Hsp90-XAP2-AHR cytosolic complex

J Gruszczyk, L Grandvuillemin, J Lai-Kee-Him… - Nature …, 2022 - nature.com
The aryl hydrocarbon receptor (AHR) is a ligand-dependent transcription factor that
mediates a broad spectrum of (patho) physiological processes in response to numerous …

Coronavirus disease pandemic (COVID-19): challenges and a global perspective

YS Malik, N Kumar, S Sircar, R Kaushik, S Bhat… - Pathogens, 2020 - mdpi.com
The technology-driven world of the 21st century is currently confronted with a major threat to
humankind, represented by the coronavirus disease (COVID-19) pandemic, caused by the …

Accurate SAXS profile computation and its assessment by contrast variation experiments

D Schneidman-Duhovny, M Hammel, JA Tainer… - Biophysical journal, 2013 - cell.com
A major challenge in structural biology is to characterize structures of proteins and their
assemblies in solution. At low resolution, such a characterization may be achieved by small …

Critical assessment of methods of protein structure prediction (CASP)—round x

J Moult, K Fidelis, A Kryshtafovych… - Proteins: Structure …, 2014 - Wiley Online Library
This article is an introduction to the special issue of the journal PROTEINS, dedicated to the
tenth Critical Assessment of Structure Prediction (CASP) experiment to assess the state of …

Oleoresin defenses in conifers: chemical diversity, terpene synthases and limitations of oleoresin defense under climate change

JM Celedon, J Bohlmann - New Phytologist, 2019 - Wiley Online Library
Conifers have evolved complex oleoresin terpene defenses against herbivores and
pathogens. In co‐evolved bark beetles, conifer terpenes also serve chemo‐ecological …

Putting the pieces together: integrative modeling platform software for structure determination of macromolecular assemblies

D Russel, K Lasker, B Webb, J Velázquez-Muriel… - PLoS …, 2012 - journals.plos.org
A set of software tools for building and distributing models of macromolecular assemblies
uses an integrative structure modeling approach, which casts the building of models as a …

Structure of the human inner kinetochore CCAN complex and its significance for human centromere organization

ME Pesenti, T Raisch, D Conti, K Walstein, I Hoffmann… - Molecular cell, 2022 - cell.com
Centromeres are specialized chromosome loci that seed the kinetochore, a large protein
complex that effects chromosome segregation. A 16-subunit complex, the constitutive …